Showing Metabocard for pentyl propanoate (BASm0007615)
| Common Name | Pentyl propanoate |
|---|---|
| Description | Pentyl propanoate is a flavouring ingredient Pentyl propanoate is an organic compound which is the ester formed by the condensation of pentanol and propanoic acid. It is also known as apricot essence |
| Structure | |
| Molecular Formula | C8H16O2 |
| Average Mass | 144.21140 |
| Monoisotopic Mass | 144.11503 |
| IUPAC Name | pentyl propanoate |
| Traditional Name | Amyl propionate |
| CAS Registry Number | 624-54-4 |
| SMILES | CCCCCOC(=O)CC |
| InChI Identifier | InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3 |
| InChI Key | TWSRVQVEYJNFKQ-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:87373 |
| HMDB ID | HMDB0031638 |
| State | Liquid |
| Water Solubility | 1.00e+00 g/l |
| logP | 2.93 |
| logS | -2.16 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | -7.03 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 26.3 Ų |
| Rotatable Bond Count | 6 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 40.51 m³·mol⁻¹ |
| Polarizability | 17.51 |